SCHEMBL1671069

SCHEMBL1671069

O=C(O)c1cc([N+](=O)[O-])ccc1OCC(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
MEN1 O00255 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HNF4A P41235 1/20 0.41
NPC1 O15118 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12800021 0.88 KMT2A (0.45) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL28255785 0.86 ALDH1A1 (0.50) CTSVCTSLTP53HTTALDH1A1
SCHEMBL1671422 0.83 SMN1; SMN2 (0.52) TP53ALDH1A1MAPTKMT2AMEN1
SCHEMBL18113435 0.81 HTT (0.57) CTSVCTSLTP53HTTALDH1A1
SCHEMBL1671809 0.81 PTGES (0.52) TP53HTTALDH1A1MAPTCYP3A4
SCHEMBL1671104 0.80 MAPT (0.40) CTSVCTSLTP53HTTALDH1A1
SCHEMBL732933 0.79 TP53 (0.55) CTSVCTSLTP53HTTALDH1A1
SCHEMBL12799875 0.79 POLB (0.50) TP53HTTALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL1671573 0.78 MAPT (0.39) CTSVCTSLTP53HTTALDH1A1
Hydrochloric Acid SCHEMBL1671572 0.78 MAPT (0.39) CTSVCTSLTP53HTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 CTSV 2594/4885CTSL 2148/4885TP53 4149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.